SCHEMBL28934423

SCHEMBL28934423

Cc1ccc(-c2nnc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c3ccccc23)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.46
CHEK2 O96017 1/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
USP30 Q70CQ3 2/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PDE4B Q07343 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28934426 1.00 PIK3CD (0.46) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL29131921 0.90 PIK3CD (0.42) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL29131923 0.90 PIK3CD (0.42) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL28963149 0.88 HCRTR1 (0.43) PIK3CDHCRTR1HCRTR2PBRM1
SCHEMBL28963147 0.88 HCRTR1 (0.43) PIK3CDHCRTR1HCRTR2PBRM1
SCHEMBL24840287 0.83 NLRP3 (0.52) HCRTR1HCRTR2PBRM1
SCHEMBL30108771 0.83 NLRP3 (0.52) HCRTR1HCRTR2PBRM1
SCHEMBL30168040 0.83 NLRP3 (0.52) HCRTR1HCRTR2PBRM1
SCHEMBL28934400 0.83 NLRP3 (0.52) HCRTR1HCRTR2PBRM1
SCHEMBL31091178 0.83 PRMT5 (0.42) PIK3CDPRMT5USP30SMARCA2SMARCA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD PIK3CD 3309/4885CHEK2 4243/4885PIK3CA 3104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.